3-chloranyl-N-[(1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)carbothioyl]benzamide

Systemtic Name: 3-chloranyl-N-[(1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)carbothioyl]benzamide Openeye Name: 3-chloro-N-(1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioyl)benzamide CAS Name: 3-chloro-N-[(1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-(1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioyl)benzamide Traditional Name: 3-chloro-N-(1-ethyl-1,3,4,9-tetrahydro-$b-carboline-2-carbothioyl)benzamide Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1C(=S)NC(=O)C3=CC(=CC=C3)Cl)C4=CC=CC=C4N2

Isomeric SMILES

CCC1C2=C(CCN1C(=S)NC(=O)C3=CC(=CC=C3)Cl)C4=CC=CC=C4N2

InChI

InChI=1S/C21H20ClN3OS/c1-2-18-19-16(15-8-3-4-9-17(15)23-19)10-11-25(18)21(27)24-20(26)13-6-5-7-14(22)12-13/h3-9,12,18,23H,2,10-11H2,1H3,(H,24,26,27)